SCHEMBL23779237

SCHEMBL23779237

CCOc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RECQL P46063 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.43
CTSD P07339 1/20 0.43
FBP1 P09467 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27651187 0.88 TSHR (0.55) TSHRMAPTMEN1KMT2ARECQL
SCHEMBL31226693 0.87 MAPT (0.46) TSHRMAPTMEN1KMT2ARECQL
SCHEMBL16960779 0.86 MAPT (0.48) TSHRMAPTMEN1KMT2ARECQL
SCHEMBL7878656 0.85 ALDH1A1 (0.53) TSHRMAPTMEN1KMT2ARECQL
SCHEMBL2686964 0.85 TSHR (0.59) TSHRMAPTMEN1KMT2ARECQL
SCHEMBL11052582 0.84 ALDH1A1 (0.57) TSHRMAPTMEN1KMT2ARECQL
SCHEMBL521662 0.83 TSHR (0.68) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL16959136 0.82 MAPT (0.45) TSHRMAPTMEN1KMT2ARECQL
SCHEMBL3093865 0.82 CTSV (0.58) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20672346 0.82 TSHR (0.51) TSHRMAPTMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed
EP-3873892-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CONDITIONS RELATED TO THE MODULATION OF IL-12, IL-23 AND/OR IFN-ALPHA Bristol-Myers Squibb Company (US) 2021-09-08 EP disclosed